Articles producció científica> Enginyeria Química

Chitosan-Grafted Polyacrylic Acid-Doped Copper Oxide Nanoflakes Used as a Potential Dye Degrader and Antibacterial Agent: In Silico Molecular Docking Analysis

  • Dades identificatives

    Identificador: imarina:9286886
    Autors:
    Bilal MIkram MShujah THaider ANaz SUl-Hamid ANaz MHaider JShahzadi INabgan W
    Resum:
    This study examined the catalytic and bactericidal properties of polymer-doped copper oxide (CuO). For this purpose, a facile co-precipitation method was used to synthesize CuO nanostructures doped with CS-g-PAA. Various concentrations (2, 4, and 6%) of dopants were systematically incorporated into a fixed amount of CuO. The prepared samples were analyzed by different optical, structural, and morphological characterizations. Field emission scanning electron microscopy and transmission electron microscopy micrographs indicated that doping transformed CuO's agglomerated rod-like surface morphology to form nanoflakes. UV-vis spectroscopy revealed that the optical spectra of the samples exhibit a redshift after doping, leading to a decrease in band gap energy from 3.3 to 2.5 eV. The purpose of the study was to test the catalytic activity of pristine and CS-g-PAA doped CuO for the degradation of methylene blue in acidic, basic, and neutral conditions using NaBH4 as a reducing agent in an aqueous medium. Furthermore, antibacterial activity was evaluated against Gram-positive and Gram-negative bacteria, namely, Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli). Overall, enhanced bactericidal performance was observed upon doping CS-g-PAA into CuO, i.e., 4.25-6.15 and 4.40-8.15 mm against S. aureus and 1.35-4.20 and 2.25-5.25 mm against E. coli at the lowest and highest doses, respectively. The relevant catalytic and bactericidal action mechanisms of samples are also proposed in the study. Moreover, in silico molecular docking studies illustrated the role of these prepared nanomaterials as possible inhibitors of FabH and FabI enzymes of the fatty acid biosynthetic pathway.
  • Altres:

    Autor segons l'article: Bilal M; Ikram M; Shujah T; Haider A; Naz S; Ul-Hamid A; Naz M; Haider J; Shahzadi I; Nabgan W
    Departament: Enginyeria Química
    Autor/s de la URV: Nabgan, Walid
    Paraules clau: Polyethersulfone ultrafiltration membrane thin-films removal nanoparticles nanocomposite microspheres enhanced adsorption degradation cuo nanostructures catalytic-reduction
    Resum: This study examined the catalytic and bactericidal properties of polymer-doped copper oxide (CuO). For this purpose, a facile co-precipitation method was used to synthesize CuO nanostructures doped with CS-g-PAA. Various concentrations (2, 4, and 6%) of dopants were systematically incorporated into a fixed amount of CuO. The prepared samples were analyzed by different optical, structural, and morphological characterizations. Field emission scanning electron microscopy and transmission electron microscopy micrographs indicated that doping transformed CuO's agglomerated rod-like surface morphology to form nanoflakes. UV-vis spectroscopy revealed that the optical spectra of the samples exhibit a redshift after doping, leading to a decrease in band gap energy from 3.3 to 2.5 eV. The purpose of the study was to test the catalytic activity of pristine and CS-g-PAA doped CuO for the degradation of methylene blue in acidic, basic, and neutral conditions using NaBH4 as a reducing agent in an aqueous medium. Furthermore, antibacterial activity was evaluated against Gram-positive and Gram-negative bacteria, namely, Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli). Overall, enhanced bactericidal performance was observed upon doping CS-g-PAA into CuO, i.e., 4.25-6.15 and 4.40-8.15 mm against S. aureus and 1.35-4.20 and 2.25-5.25 mm against E. coli at the lowest and highest doses, respectively. The relevant catalytic and bactericidal action mechanisms of samples are also proposed in the study. Moreover, in silico molecular docking studies illustrated the role of these prepared nanomaterials as possible inhibitors of FabH and FabI enzymes of the fatty acid biosynthetic pathway.
    Àrees temàtiques: Química Interdisciplinar General chemistry General chemical engineering Engenharias ii Ciências agrárias i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemical engineering (miscellaneous) Chemical engineering (all)
    Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
    Adreça de correu electrònic de l'autor: walid.nabgan@urv.cat
    Identificador de l'autor: 0000-0001-9901-862X
    Data d'alta del registre: 2024-09-07
    Versió de l'article dipositat: info:eu-repo/semantics/publishedVersion
    Enllaç font original: https://pubs.acs.org/doi/full/10.1021/acsomega.2c05625
    URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
    Referència a l'article segons font original: Acs Omega. 7 (45): 41614-41626
    Referència de l'ítem segons les normes APA: Bilal M; Ikram M; Shujah T; Haider A; Naz S; Ul-Hamid A; Naz M; Haider J; Shahzadi I; Nabgan W (2022). Chitosan-Grafted Polyacrylic Acid-Doped Copper Oxide Nanoflakes Used as a Potential Dye Degrader and Antibacterial Agent: In Silico Molecular Docking Analysis. Acs Omega, 7(45), 41614-41626. DOI: 10.1021/acsomega.2c05625
    DOI de l'article: 10.1021/acsomega.2c05625
    Entitat: Universitat Rovira i Virgili
    Any de publicació de la revista: 2022
    Tipus de publicació: Journal Publications
  • Paraules clau:

    Chemical Engineering (Miscellaneous),Chemistry (Miscellaneous),Chemistry, Multidisciplinary
    Polyethersulfone ultrafiltration membrane
    thin-films
    removal
    nanoparticles
    nanocomposite
    microspheres
    enhanced adsorption
    degradation
    cuo nanostructures
    catalytic-reduction
    Química
    Interdisciplinar
    General chemistry
    General chemical engineering
    Engenharias ii
    Ciências agrárias i
    Chemistry, multidisciplinary
    Chemistry (miscellaneous)
    Chemistry (all)
    Chemical engineering (miscellaneous)
    Chemical engineering (all)
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